2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C18H30N4O3S — CID 120775282

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(N)C(C)(C)C1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H30N4O3S/c1-12(14-5-7-15(8-6-14)26(20,24)25)21-17(23)13(2)22-10-9-16(19)18(3,4)11-22/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,21,23)(H2,20,24,25)
InChIKeyFWHOJVGHPXOUSA-UHFFFAOYSA-N
MW382.53 g/mol
LogP0.96
Rot. Bonds5

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 120775282) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID120775282
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)N1CCC(N)C(C)(C)C1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H30N4O3S/c1-12(14-5-7-15(8-6-14)26(20,24)25)21-17(23)13(2)22-10-9-16(19)18(3,4)11-22/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,21,23)(H2,20,24,25)
InChIKeyFWHOJVGHPXOUSA-UHFFFAOYSA-N
XLogP0.96
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 120772528
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 32861552
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-(azetidin-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 116675254
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 120775282) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is CC(NC(=O)C(C)N1CCC(N)C(C)(C)C1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is FWHOJVGHPXOUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-12(14-5-7-15(8-6-14)26(20,24)25)21-17(23)13(2)22-10-9-16(19)18(3,4)11-22/h5-8,12-13,16H,9-11,19H2,1-4H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 382.53 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 120775282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).